Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50266529'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50266529 (CHEMBL4091174) Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C31H34FN7O2S/c1-4-25-30(36(3)31-35-28(26(14-33)42-31)21-5-7-23(32)8-6-21)39-15-22(13-19(2)29(39)34-25)20-9-11-37(12-10-20)18-27(41)38-16-24(40)17-38/h5-8,13,15,20,24,40H,4,9-12,16-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU Curated by ChEMBL					Assay Description Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric...				J Med Chem 60: 3580-3590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00032 BindingDB Entry DOI: 10.7270/Q25141PD
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